Receptor
PDB id Resolution Class Description Source Keywords
6RBR 2.06 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEXE WITH AN ADENINE DERIVATIVE LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) TETRAMERIC NAD KINASE TRANSFERASE
Ref.: FROM SUBSTRATE TO FRAGMENTS TO INHIBITOR ACTIVEIN VIVOAGAINSTSTAPHYLOCOCCUS AUREUS. ACS INFECT DIS. V. 6 422 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
JXN A:302;
 Valid;
 none;
 submit data
242.076 C7 H8 Br N5 CCn1c...
CIT A:301;
 Invalid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DHU 2.33 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEX WITH A NOVEL INHIBITOR LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) TETRAMERIC NAD KINASE TRANSFERASE
Ref.: 8-THIOALKYL-ADENOSINE DERIVATIVES INHIBIT LISTERIA MONOCYTOGENES NAD KINASE THROUGH A NOVEL BINDING MO EUR.J.MED.CHEM. V. 124 1041 2016
Members (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
70% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JXN; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 JXN 1 1
2 JXK 0.62 0.830189
3 JYT 0.588235 0.745763
4 JYW 0.566038 0.733333
5 JXT 0.535714 0.862745
6 JYB 0.529412 0.854167
7 JYK 0.526316 0.814815
8 JYE 0.508475 0.8
9 JXB 0.491803 0.785714
10 JXW 0.444444 0.803922
11 JXZ 0.444444 0.677966
Similar Ligands (3D)
Ligand no: 1; Ligand: JXN; Similar ligands found: 790
No: Ligand Similarity coefficient
1 AJV 0.9797
2 2EC 0.9659
3 0W8 0.9633
4 1KP 0.9582
5 7B4 0.9542
6 I3A 0.9519
7 7HQ 0.9508
8 DHQ 0.9505
9 32X 0.9455
10 KJY 0.9432
11 GXY 0.9419
12 ADZ 0.9411
13 MUA 0.9378
14 BGC 0.9369
15 PQ0 0.9364
16 2AK 0.9356
17 LT2 0.9355
18 KKN 0.9346
19 ES7 0.9340
20 B62 0.9328
21 GSY 0.9324
22 3HA 0.9318
23 0P6 0.9310
24 GLC 0.9309
25 25W 0.9308
26 PRF 0.9308
27 QWN 0.9298
28 DIU 0.9298
29 9MG 0.9296
30 JU2 0.9294
31 KUF 0.9294
32 DBH 0.9292
33 3M0 0.9291
34 M0Q 0.9289
35 B60 0.9289
36 G3F 0.9287
37 DMD 0.9281
38 CWS 0.9280
39 7B3 0.9280
40 DBJ 0.9277
41 M6N 0.9275
42 1U6 0.9274
43 C2U 0.9265
44 TOF 0.9261
45 PYQ 0.9260
46 3WA 0.9258
47 5RO 0.9257
48 QXW 0.9256
49 3IT 0.9253
50 3F0 0.9246
51 1P7 0.9246
52 AZ9 0.9244
53 FE DB1 0.9244
54 5B1 0.9243
55 44V 0.9243
56 GAL 0.9239
57 8CM 0.9236
58 R8V 0.9231
59 PQK 0.9229
60 8S0 0.9226
61 3Z8 0.9222
62 UNC 0.9217
63 JBK 0.9217
64 HH8 0.9216
65 E7Z 0.9215
66 MEW 0.9213
67 AZ8 0.9206
68 RM1 0.9205
69 APS 0.9203
70 ALL 0.9202
71 GCS 0.9200
72 MAQ 0.9198
73 3DO 0.9198
74 0LH 0.9198
75 4MU 0.9197
76 KT7 0.9194
77 5WV 0.9190
78 G6D 0.9190
79 JUG 0.9189
80 YSO 0.9187
81 6M4 0.9187
82 NDM 0.9187
83 N5J 0.9185
84 42A 0.9183
85 ARP 0.9182
86 QX4 0.9182
87 FOT 0.9176
88 5WU 0.9173
89 CTS 0.9170
90 5NE 0.9170
91 24W 0.9170
92 HJP 0.9169
93 FDB 0.9168
94 SYV 0.9167
95 45C 0.9164
96 M1E 0.9163
97 PH2 0.9162
98 6M9 0.9161
99 Q88 0.9161
100 G1O 0.9160
101 2HQ 0.9156
102 2CQ 0.9156
103 39A 0.9155
104 LGC 0.9154
105 ZVO 0.9152
106 DQU 0.9152
107 JBQ 0.9151
108 M0W 0.9150
109 1SQ 0.9147
110 4YS 0.9144
111 150 0.9144
112 0XT 0.9142
113 1NP 0.9142
114 1LM 0.9141
115 JBH 0.9140
116 O72 0.9138
117 2ZQ 0.9136
118 TSS 0.9133
119 JB5 0.9133
120 HHA 0.9132
121 FSW 0.9132
122 5Q0 0.9131
123 IJZ 0.9131
124 M1H 0.9129
125 44W 0.9128
126 5RN 0.9127
127 PHH 0.9126
128 5IQ 0.9124
129 CWM 0.9121
130 PXM 0.9120
131 GCW 0.9119
132 1LQ 0.9118
133 HQY 0.9117
134 SKA 0.9112
135 5WX 0.9112
136 HKD 0.9111
137 ASC 0.9110
138 6CS 0.9109
139 5SG 0.9109
140 JPZ 0.9108
141 E35 0.9108
142 M1Q 0.9106
143 ES1 0.9105
144 NID 0.9104
145 FLV 0.9103
146 G3E 0.9101
147 3PF 0.9100
148 5QY 0.9100
149 8WO 0.9099
150 N8Y 0.9099
151 7VJ 0.9099
152 1WG 0.9097
153 0N7 0.9096
154 WOO 0.9093
155 XQ0 0.9092
156 F4Z 0.9091
157 4HC 0.9090
158 86J 0.9086
159 BZ3 0.9083
160 PXL 0.9079
161 Q77 0.9079
162 TC7 0.9078
163 SE2 0.9077
164 54G 0.9076
165 GTQ 0.9076
166 KBG 0.9075
167 MR1 0.9074
168 XHP 0.9074
169 HLZ 0.9074
170 4AA 0.9073
171 CFF 0.9072
172 J9T 0.9072
173 5RG 0.9071
174 KJU 0.9069
175 06B 0.9066
176 LNR 0.9063
177 ES0 0.9060
178 D07 0.9060
179 8WT 0.9059
180 XXR 0.9057
181 7ZE 0.9056
182 ORO 0.9055
183 ISN 0.9053
184 4Z4 0.9052
185 TH7 0.9052
186 F5B 0.9051
187 QX2 0.9050
188 HHR 0.9049
189 JG8 0.9047
190 D48 0.9046
191 5OB 0.9043
192 5NS 0.9041
193 QWW 0.9037
194 J5I 0.9036
195 5QX 0.9035
196 4JQ 0.9035
197 0FO 0.9034
198 5WY 0.9034
199 PE0 0.9033
200 DQN 0.9032
201 37T 0.9031
202 12Q 0.9030
203 2KA 0.9029
204 MO8 0.9026
205 INE 0.9026
206 BCP 0.9026
207 5M0 0.9024
208 BSP 0.9023
209 FYU 0.9023
210 7VS 0.9022
211 BZX 0.9022
212 URC 0.9021
213 6ME 0.9017
214 LZ2 0.9016
215 V55 0.9016
216 BMA 0.9016
217 AZA 0.9015
218 Q24 0.9014
219 3ID 0.9014
220 HA7 0.9012
221 Q7A 0.9012
222 TEP 0.9011
223 GYE 0.9011
224 069 0.9010
225 226 0.9010
226 J9W 0.9009
227 RZH 0.9009
228 5XC 0.9008
229 INS 0.9008
230 X0W 0.9008
231 APZ 0.9007
232 L99 0.9006
233 M5N 0.9005
234 SX1 0.9005
235 FA0 0.9005
236 KJH 0.9001
237 5MK 0.8999
238 B53 0.8998
239 4XH 0.8998
240 1XN 0.8996
241 6VD 0.8996
242 X05 0.8996
243 JND 0.8993
244 9LI 0.8993
245 A7W 0.8992
246 RAM 0.8991
247 NSP 0.8990
248 LZM 0.8990
249 M5K 0.8990
250 X8D 0.8990
251 NTZ 0.8989
252 XDE 0.8989
253 F05 0.8988
254 UEG 0.8988
255 GAB 0.8986
256 COU 0.8985
257 4YO 0.8984
258 MRW 0.8983
259 5GU 0.8983
260 SVN 0.8981
261 3NT 0.8980
262 SXS 0.8980
263 BEA 0.8979
264 293 0.8978
265 SAL 0.8977
266 NIZ 0.8977
267 8H8 0.8976
268 4M4 0.8975
269 NMJ 0.8975
270 I6G 0.8975
271 B57 0.8972
272 P9P 0.8971
273 4VS 0.8971
274 OTW 0.8971
275 A29 0.8969
276 DX3 0.8969
277 KOJ 0.8969
278 GCB 0.8967
279 EVA 0.8966
280 ISE 0.8966
281 OXC 0.8966
282 MVN 0.8965
283 9FL 0.8963
284 CLZ 0.8961
285 MYJ 0.8960
286 9TZ 0.8959
287 3HB 0.8959
288 03V 0.8958
289 4HM 0.8958
290 VOH 0.8957
291 AQO 0.8956
292 HZQ 0.8956
293 9EW 0.8955
294 KIB 0.8955
295 GUN 0.8954
296 BDP 0.8954
297 NVU 0.8953
298 7ME 0.8951
299 TSR 0.8950
300 4NC 0.8943
301 4FS 0.8942
302 9DG 0.8942
303 DOB 0.8942
304 SOE 0.8941
305 DPZ 0.8940
306 MT5 0.8940
307 DIN 0.8939
308 EUG 0.8938
309 XAN 0.8937
310 EA1 0.8937
311 K17 0.8936
312 OCH 0.8935
313 TBS 0.8935
314 UAN 0.8934
315 BNT 0.8934
316 5NU 0.8933
317 MVL 0.8933
318 QUZ 0.8932
319 HQT 0.8932
320 ISZ 0.8931
321 CFI 0.8931
322 SYA 0.8931
323 HPA 0.8931
324 H42 0.8931
325 53C 0.8930
326 GOG 0.8930
327 GDE 0.8929
328 QSB 0.8929
329 HQD 0.8929
330 A2F 0.8928
331 AJY 0.8928
332 7W1 0.8928
333 PFB 0.8928
334 2AQ 0.8927
335 2LY 0.8926
336 75K 0.8925
337 39O 0.8923
338 XYP 0.8923
339 5CU 0.8921
340 ADE 0.8921
341 HLR 0.8921
342 AJ2 0.8920
343 18N 0.8920
344 AHR 0.8920
345 K6X 0.8918
346 C2Y 0.8917
347 DHB 0.8917
348 0TU 0.8917
349 GOX 0.8916
350 FBG 0.8915
351 QBK 0.8915
352 NPY 0.8915
353 4CS 0.8914
354 MQN 0.8914
355 IGA 0.8914
356 FK1 0.8913
357 CFP 0.8913
358 BHO 0.8913
359 DBX 0.8912
360 5HN 0.8911
361 TTL 0.8911
362 H4N 0.8910
363 3AB 0.8908
364 G5V 0.8908
365 DIE 0.8907
366 AZG 0.8906
367 OA3 0.8906
368 BOA 0.8905
369 TWO 0.8905
370 495 0.8904
371 EXO 0.8904
372 92K 0.8904
373 3DM 0.8903
374 OVV 0.8901
375 JTH 0.8899
376 1DW 0.8899
377 XAZ 0.8899
378 2FQ 0.8899
379 E7R 0.8897
380 BHA 0.8895
381 ZYR 0.8893
382 7W4 0.8892
383 EQT 0.8891
384 0RW 0.8891
385 5MB 0.8891
386 7HP 0.8891
387 67N 0.8889
388 MT0 0.8888
389 IAC 0.8888
390 15E 0.8887
391 GIM 0.8887
392 BTE 0.8886
393 6RQ 0.8886
394 R9Y 0.8885
395 8ZE 0.8885
396 3R6 0.8885
397 141 0.8885
398 XM5 0.8885
399 DOR 0.8885
400 ES5 0.8884
401 GRE 0.8884
402 2K8 0.8884
403 9HX 0.8883
404 4JT 0.8882
405 42C 0.8881
406 290 0.8881
407 9R5 0.8881
408 M1A 0.8880
409 9DA 0.8880
410 BTY 0.8878
411 X09 0.8877
412 680 0.8876
413 9KT 0.8876
414 8GC 0.8876
415 FUL 0.8875
416 NDH 0.8874
417 NQ 0.8873
418 KFH 0.8873
419 INO 0.8873
420 ZZT 0.8872
421 Q6T 0.8871
422 5MI 0.8871
423 HFB 0.8870
424 M2K 0.8870
425 G12 0.8869
426 4ME 0.8868
427 8IG 0.8867
428 BP1 0.8867
429 LDP 0.8866
430 NOJ 0.8866
431 QPR 0.8864
432 MWP 0.8864
433 2CK 0.8864
434 IHB 0.8863
435 SHG 0.8861
436 9CA 0.8861
437 6MP 0.8861
438 82I 0.8860
439 0FN 0.8860
440 LKA 0.8859
441 5CL 0.8859
442 6BL 0.8857
443 GCV 0.8857
444 QSH 0.8856
445 3FH 0.8856
446 10L 0.8855
447 JBE 0.8855
448 DNF 0.8854
449 DRL 0.8851
450 1IT 0.8850
451 2D0 0.8849
452 EOL 0.8848
453 HMH 0.8848
454 8NY 0.8847
455 ROI 0.8847
456 HNQ 0.8847
457 F3B 0.8846
458 MZB 0.8845
459 SWD 0.8845
460 3GQ 0.8845
461 1P8 0.8844
462 RPQ 0.8843
463 AW5 0.8843
464 93K 0.8843
465 WCE 0.8842
466 8W9 0.8841
467 4AN 0.8840
468 ICO 0.8840
469 8TX 0.8840
470 NAG 0.8839
471 LXC 0.8839
472 H7Y 0.8837
473 3BZ 0.8837
474 4AV 0.8837
475 IBF 0.8834
476 4M0 0.8834
477 2HO 0.8834
478 MAN 0.8833
479 PCI 0.8832
480 7WA 0.8831
481 3NY 0.8830
482 173 0.8830
483 IFL 0.8829
484 6M1 0.8829
485 BE2 0.8829
486 B55 0.8829
487 6AP 0.8828
488 DHK 0.8828
489 4A5 0.8827
490 948 0.8826
491 QAS 0.8826
492 2K4 0.8825
493 BEN 0.8825
494 DX4 0.8824
495 TGX 0.8823
496 GCU 0.8823
497 TTY 0.8822
498 2LP 0.8822
499 AKH 0.8821
500 VNL 0.8821
501 3MG 0.8821
502 14O 0.8821
503 2BG 0.8820
504 7NI 0.8820
505 PZI 0.8820
506 CTL 0.8819
507 GZL 0.8819
508 MQB 0.8819
509 2A9 0.8818
510 PM6 0.8817
511 6NT 0.8816
512 ODO 0.8815
513 8OZ 0.8812
514 IPB 0.8811
515 SVD 0.8811
516 F0J 0.8811
517 0HO 0.8809
518 DGJ 0.8809
519 6F0 0.8808
520 IT2 0.8807
521 0CU 0.8807
522 4KL 0.8807
523 FHB 0.8807
524 4A3 0.8806
525 5NI 0.8806
526 VGD 0.8805
527 MMA 0.8805
528 2MI 0.8803
529 HX3 0.8802
530 VK3 0.8801
531 HH5 0.8800
532 ES4 0.8800
533 CHB 0.8800
534 CLW 0.8798
535 3RK 0.8797
536 BAM 0.8797
537 EYK 0.8795
538 SRO 0.8794
539 YH7 0.8793
540 NNO 0.8793
541 LI6 0.8792
542 GLA 0.8792
543 3Z7 0.8792
544 YIO 0.8790
545 9RW 0.8790
546 9TW 0.8789
547 0HN 0.8789
548 24B 0.8789
549 BBF 0.8789
550 ES9 0.8788
551 2ZM 0.8787
552 HQJ 0.8787
553 OVP 0.8787
554 JA8 0.8787
555 K5W 0.8786
556 AEZ 0.8786
557 3U4 0.8785
558 BRT 0.8784
559 MIG 0.8783
560 I1N 0.8782
561 1XM 0.8781
562 11S 0.8781
563 HA5 0.8780
564 SJ5 0.8778
565 EV3 0.8778
566 K8X 0.8777
567 57O 0.8776
568 TAG 0.8776
569 3A9 0.8776
570 5JQ 0.8776
571 ES2 0.8776
572 3OC 0.8774
573 23A 0.8773
574 3HM 0.8773
575 EKZ 0.8772
576 8GK 0.8772
577 TH0 0.8772
578 2ZV 0.8772
579 UFO 0.8772
580 RXA 0.8770
581 GZ8 0.8770
582 LSA 0.8769
583 12B 0.8768
584 K2T 0.8766
585 MAG 0.8766
586 42J 0.8766
587 6AI 0.8765
588 JAE 0.8765
589 ET2 0.8764
590 PDC 0.8764
591 ES6 0.8763
592 NOY 0.8763
593 SWA 0.8761
594 PEY 0.8759
595 CWJ 0.8758
596 4SV 0.8757
597 GM7 0.8757
598 GNM 0.8757
599 F9Y 0.8757
600 ADK 0.8757
601 5JL 0.8757
602 8XQ 0.8756
603 EJZ 0.8752
604 5H1 0.8751
605 6GU 0.8751
606 1M2 0.8750
607 CN0 0.8750
608 94B 0.8750
609 XX2 0.8748
610 GJS 0.8748
611 5VM 0.8748
612 2AL 0.8748
613 C9E 0.8745
614 IBM 0.8745
615 XQG 0.8744
616 FBB 0.8743
617 ABI 0.8741
618 QSC 0.8740
619 TT4 0.8739
620 20J 0.8739
621 NLA 0.8738
622 Q71 0.8738
623 SKM 0.8738
624 94W 0.8737
625 JKE 0.8737
626 G4D 0.8736
627 SOR 0.8736
628 JLZ 0.8734
629 1GN 0.8733
630 DEE 0.8732
631 0FK 0.8731
632 ASO 0.8729
633 B5D 0.8728
634 BPU 0.8726
635 OVM 0.8725
636 H5B 0.8724
637 F60 0.8723
638 BCF 0.8722
639 GTR 0.8722
640 DNA 0.8722
641 F31 0.8720
642 6X9 0.8718
643 ESI 0.8718
644 28N 0.8717
645 2H5 0.8716
646 NCT 0.8715
647 IV2 0.8715
648 OW4 0.8713
649 J01 0.8712
650 0F9 0.8712
651 JY2 0.8711
652 E3D 0.8711
653 0JD 0.8710
654 0W1 0.8709
655 4P5 0.8708
656 XXP 0.8708
657 UQ 0.8706
658 329 0.8705
659 7MU 0.8704
660 PBC 0.8704
661 4TU 0.8703
662 ADA 0.8701
663 D3M 0.8700
664 O2A 0.8699
665 3XX 0.8699
666 SRT 0.8698
667 3MA 0.8697
668 H62 0.8697
669 MT8 0.8694
670 8XL 0.8691
671 DPT 0.8691
672 Z5P 0.8691
673 149 0.8691
674 PRZ 0.8690
675 P92 0.8690
676 TIY 0.8688
677 97T 0.8687
678 1X7 0.8686
679 7MX 0.8684
680 URF 0.8684
681 JDN 0.8683
682 D1X 0.8679
683 G2F 0.8678
684 3MB 0.8676
685 7WV 0.8676
686 FRU 0.8675
687 DMJ 0.8674
688 RJY 0.8673
689 PQZ 0.8670
690 WBU 0.8668
691 LCN 0.8666
692 J9Q 0.8665
693 N2I 0.8665
694 4RU 0.8665
695 HHS 0.8664
696 209 0.8663
697 AFR 0.8661
698 091 0.8660
699 12T 0.8659
700 GIO 0.8659
701 261 0.8659
702 KBB 0.8658
703 KGK 0.8658
704 IFP 0.8658
705 FBU 0.8657
706 OW7 0.8655
707 X0V 0.8655
708 NTN 0.8653
709 FBT 0.8650
710 270 0.8650
711 6NI 0.8650
712 2MN 0.8649
713 43M 0.8649
714 IOS 0.8648
715 MJ2 0.8646
716 BDF 0.8642
717 F12 0.8642
718 MCT 0.8642
719 OXZ 0.8641
720 MHK 0.8639
721 GOJ 0.8638
722 1P3 0.8638
723 HMU 0.8638
724 GXL 0.8637
725 9PY 0.8636
726 9ZE 0.8636
727 DEN 0.8635
728 4JP 0.8634
729 BSX 0.8633
730 MPI 0.8632
731 XM0 0.8631
732 AX7 0.8630
733 45L 0.8630
734 L7T 0.8623
735 FUC 0.8623
736 TDR 0.8622
737 ABV 0.8620
738 RIB 0.8620
739 YQA 0.8620
740 51R 0.8620
741 GAF 0.8620
742 QAT 0.8618
743 QQQ 0.8617
744 PBZ 0.8617
745 A1U 0.8614
746 5UC 0.8614
747 64C 0.8613
748 JAW 0.8611
749 K32 0.8610
750 PD2 0.8608
751 X6X 0.8607
752 68A 0.8606
753 HXX 0.8606
754 MBG 0.8604
755 MFU 0.8604
756 P3K 0.8601
757 4HO 0.8601
758 F1A 0.8599
759 95Z 0.8596
760 WSD 0.8594
761 AMG 0.8590
762 KTW 0.8588
763 JFD 0.8588
764 IDM 0.8583
765 P72 0.8581
766 FUD 0.8581
767 L5V 0.8580
768 KDV 0.8579
769 BZF 0.8578
770 A13 0.8576
771 PHE 0.8572
772 23J 0.8571
773 VXX 0.8571
774 RM4 0.8566
775 8HC 0.8566
776 IND 0.8560
777 2FG 0.8559
778 FDR 0.8552
779 GIV 0.8549
780 BZI 0.8548
781 15N 0.8548
782 4ZA 0.8542
783 XQK 0.8536
784 JF1 0.8536
785 67X 0.8533
786 NTM 0.8532
787 PHT 0.8532
788 SLS 0.8510
789 GCO 0.8503
790 4JJ 0.8503
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
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